DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL3330059_dpp4

Atoms: 216
Models: 9
Best Energy: -7.521 kcal/mol

Binding Energies:
  • Pose 1: -7.521 kcal/mol
  • Pose 2: -7.518 kcal/mol
  • Pose 3: -7.417 kcal/mol
  • Pose 4: -7.179 kcal/mol
  • Pose 5: -7.098 kcal/mol
  • Pose 6: -7.037 kcal/mol
  • Pose 7: -6.942 kcal/mol
  • Pose 8: -6.888 kcal/mol
  • Pose 9: -6.872 kcal/mol
CHEMBL3330059_dpp4
Energy Plot
RMSD Scatter Plot